ethyl 3-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-(3-indolin-1-ylpropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[[3-(2,3-dihydroindol-1-yl)propylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,3-dihydroindol-1-yl)propylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-(3-indolin-1-ylpropylcarbamoyl)-5-nitro-benzoic acid ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCN2CCC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-2-29-21(26)17-12-16(13-18(14-17)24(27)28)20(25)22-9-5-10-23-11-8-15-6-3-4-7-19(15)23/h3-4,6-7,12-14H,2,5,8-11H2,1H3,(H,22,25)